HXN
Summary
| Name: | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile |
| Formula: | C18 H25 Br N6 |
| Formal charge: | 0 |
| Formula weight: | 405.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H25BrN6/c1-23(2)10-6-12-25(4)18-21-16-8-7-14(19)13-15(16)17(22-18)24(3)11-5-9-20/h7-8,13H,5-6,10-12H2,1-4H3 |
| InChIKey | InChI | 1.03 | YQHWFKUKSRPCIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCN(C)c1nc2ccc(Br)cc2c(n1)N(C)CCC#N |
| SMILES | CACTVS | 3.385 | CN(C)CCCN(C)c1nc2ccc(Br)cc2c(n1)N(C)CCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br |
